Information card for entry 7150460

Structure parameters

• Formula: C20 H22 N2 O2
• Calculated formula: C20 H22 N2 O2
• SMILES: O=C1Nc2ccccc2c2c3n(c(C=O)c2)CCCC3(CC1)CC
• Title of publication: Total synthesis of (±)-rhazinal, an alkaloidal spindle toxin from Kopsia teoi
• Authors of publication: Banwell, Martin G.; Edwards, Alison J.; Jolliffe, Katrina A.; Smith, Jason A.; Hamel, Ernest; Verdier-Pinard, Pascal
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 296
• a: 11.1081 ± 0.0003 Å
• b: 12.6796 ± 0.0004 Å
• c: 11.6659 ± 0.0004 Å
• α: 90°
• β: 101.259 ± 0.0013°
• γ: 90°
• Cell volume: 1611.48 ± 0.09 ų
• Cell temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8346
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No